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CHEBI:156919 - α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)]-β-D-Galp-(1→4)-β-D-Glcp
| Formula | C51H85N3O39 |
| Net Charge | 0 |
| Average Mass | 1364.223 |
| Monoisotopic Mass | 1363.47602 |
| SMILES | [H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](OC[C@H]4O[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)O[C@@H]5CO)[C@H](O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H]5NC(C)=O)[C@H]4O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O |
| WURCS | WURCS=2.0/4,7,6/[a2122h-1b_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-2-3-2-4/a4-b1_b3-c1_b6-e1_c3-d1_e4-f1_f6-g2 |
| InChI | InChI=1S/C51H85N3O39/c1-12(60)52-23-15(63)4-51(50(79)80,93-42(23)26(65)16(64)5-55)82-11-22-28(67)33(72)37(76)48(88-22)89-39-20(9-59)86-45(24(31(39)70)53-13(2)61)81-10-21-30(69)43(38(77)49(87-21)90-40-19(8-58)83-44(78)35(74)34(40)73)92-46-25(54-14(3)62)41(29(68)18(7-57)84-46)91-47-36(75)32(71)27(66)17(6-56)85-47/h15-49,55-59,63-78H,4-11H2,1-3H3,(H,52,60)(H,53,61)(H,54,62)(H,79,80)/t15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27-,28-,29+,30-,31+,32-,33-,34+,35+,36+,37+,38+,39+,40+,41+,42+,43-,44+,45+,46-,47-,48-,49-,51+/m0/s1 |
| InChIKey | WIJAFUBJFZRYLV-MEBPGDOWSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)]-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:156919) is a amino heptasaccharide (CHEBI:70970) |
| α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)]-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:156919) is a glucosamine oligosaccharide (CHEBI:22485) |
| α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)]-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:156919) is a neuraminic acids (CHEBI:25508) |
| IUPAC Name |
|---|
| 5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→6)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)-[β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)]-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose |
| Synonyms | Source |
|---|---|
| 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2→6)-beta-D-galacto-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1→6)-[beta-D-galacto-hexopyranosyl-(1→3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1→3)]-beta-D-galacto-hexopyranosyl-(1→4)-beta-D-gluco-hexopyranose | SUBMITTER |
| NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-6)[Gal(b1-3)GlcNAc(b1-3)]Gal(b1-4)b-Glc | SUBMITTER |
| (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-[[(2R,3S,4S,5R,6S)-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid | ChEBI |
| NeuAcα2-6Galβ1-4GlcNAcβ1-6(Galβ1-3GlcNAcβ1-3)Galβ1-4Glcβ | IUPAC |
| Neu5Aca2-6Galb1-4GlcNAcb1-6(Galb1-3GlcNAcb1-3)Galb1-4Glcb | ChEBI |
| N-acetyl-α-neuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→6)-[β-D-galactosyl-(1→3)-N-acetyl-β-D-glucosaminyl-(1→3)]-β-D-galactosyl-(1→4)-β-D-glucose | ChEBI |
| Citations |
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